N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide

C21H31ClN4O — CID 24828282

IUPACN-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H31ClN4O/c1-3-26(4-2)15-11-21(27)25-13-7-5-6-12-23-19-10-14-24-20-16-17(22)8-9-18(19)20/h8-10,14,16H,3-7,11-13,15H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDHCXSIRSMITMJF-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.32
Rot. Bonds12

About N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide

N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide (PubChem CID 24828282) has the molecular formula C21H31ClN4O and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide
PubChem CID24828282
Molecular FormulaC21H31ClN4O
Molecular Weight390.96 g/mol
Exact Mass390.22
IUPAC NameN-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H31ClN4O/c1-3-26(4-2)15-11-21(27)25-13-7-5-6-12-23-19-10-14-24-20-16-17(22)8-9-18(19)20/h8-10,14,16H,3-7,11-13,15H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDHCXSIRSMITMJF-UHFFFAOYSA-N
XLogP4.32
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide?
The IUPAC name of N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide (CID 24828282) is N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide.
What is the SMILES notation for N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide?
The canonical SMILES for N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide is CCN(CC)CCC(=O)NCCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide?
The InChIKey is DHCXSIRSMITMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4O/c1-3-26(4-2)15-11-21(27)25-13-7-5-6-12-23-19-10-14-24-20-16-17(22)8-9-18(19)20/h8-10,14,16H,3-7,11-13,15H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide?
N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide has a molecular weight of 390.96 g/mol, XLogP of 4.32, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide is sourced from PubChem (CID 24828282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).